Table 3. Data collection and processing.
Values in parentheses are for the outer shell.
| Diffraction source | MX2 beamline, Australian Synchrotron |
| Wavelength (Å) | 0.95374 |
| Detector | Dectris EIGER 16M |
| Total rotation range (°) | 720 |
| Space group | P43212 |
| a, b, c (Å) | 102.96, 102.96, 167.76 |
| α, β, γ (°) | 90, 90, 90 |
| Resolution range (Å) | 49.220–1.720 (1.750–1.720) |
| Total No. of reflections | 5180774 (256581) |
| No. of unique reflections | 96171 (4713) |
| Completeness (%) | 100.000 (99.900) |
| Multiplicity | 53.900 (54.400) |
| Mn(I) half-set correlation (CC1/2) | 1.00 (0.599) |
| 〈I/σ(I)〉 | 18.500 (0.5)† |
| R r.i.m. | 0.157 (9.227) |
| R p.i.m. | 0.021 |
| Overall B factor from Wilson plot (Å2) | 34.170 |
†
The mean I/σ(I) in the outer shell falls below 2.0 at resolutions above 1.92 Å. Analyses of merged CC1/2 correlations between intensity estimates from half data sets (Karplus & Diederichs, 2015 ▸) were used to influence the high-resolution cutoff for data processing.